furan-3-ylmethyl-methyl-[[4-(4-oxidanylidene-6-piperidin-1-ium-4-yl-1H-pyrimidin-2-yl)phenyl]methyl]azanium

Systemtic Name: furan-3-ylmethyl-methyl-[[4-(4-oxidanylidene-6-piperidin-1-ium-4-yl-1H-pyrimidin-2-yl)phenyl]methyl]azanium Openeye Name: 3-furylmethyl-methyl-[[4-(4-oxo-6-piperidin-1-ium-4-yl-1H-pyrimidin-2-yl)phenyl]methyl]ammonium CAS Name: 3-furanylmethyl-methyl-[[4-[4-oxo-6-(4-piperidin-1-iumyl)-1H-pyrimidin-2-yl]phenyl]methyl]ammonium IUPAC Name: furan-3-ylmethyl-methyl-[[4-(4-oxo-6-piperidin-1-ium-4-yl-1H-pyrimidin-2-yl)phenyl]methyl]azanium Traditional Name: 3-furfuryl-[4-(4-keto-6-piperidin-1-ium-4-yl-1H-pyrimidin-2-yl)benzyl]-methyl-ammonium Formula: C22H28N4O2+2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)C2=NC(=O)C=C(N2)C3CC[NH2+]CC3)CC4=COC=C4

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)C2=NC(=O)C=C(N2)C3CC[NH2+]CC3)CC4=COC=C4

InChI

InChI=1S/C22H26N4O2/c1-26(14-17-8-11-28-15-17)13-16-2-4-19(5-3-16)22-24-20(12-21(27)25-22)18-6-9-23-10-7-18/h2-5,8,11-12,15,18,23H,6-7,9-10,13-14H2,1H3,(H,24,25,27)/p+2